1-[butyl(2-methylpropoxy)phosphoryl]oxy-2-methylbenzene

C15H25O3P — CID 6425174

IUPAC1-[butyl(2-methylpropoxy)phosphoryl]oxy-2-methylbenzene
SMILESCCCCP(=O)(OCC(C)C)Oc1ccccc1C
InChIInChI=1S/C15H25O3P/c1-5-6-11-19(16,17-12-13(2)3)18-15-10-8-7-9-14(15)4/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyYWYLMJABGNZIHS-UHFFFAOYSA-N
MW284.34 g/mol
LogP5.04
Rot. Bonds8

About 1-[butyl(2-methylpropoxy)phosphoryl]oxy-2-methylbenzene

1-[butyl(2-methylpropoxy)phosphoryl]oxy-2-methylbenzene (PubChem CID 6425174) has the molecular formula C15H25O3P and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-[butyl(2-methylpropoxy)phosphoryl]oxy-2-methylbenzene.

Molecular Properties

Compound Name1-[butyl(2-methylpropoxy)phosphoryl]oxy-2-methylbenzene
PubChem CID6425174
Molecular FormulaC15H25O3P
Molecular Weight284.34 g/mol
Exact Mass284.15
IUPAC Name1-[butyl(2-methylpropoxy)phosphoryl]oxy-2-methylbenzene
SMILESCCCCP(=O)(OCC(C)C)Oc1ccccc1C
InChIInChI=1S/C15H25O3P/c1-5-6-11-19(16,17-12-13(2)3)18-15-10-8-7-9-14(15)4/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyYWYLMJABGNZIHS-UHFFFAOYSA-N
XLogP5.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.34
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[butyl(4-methylpentoxy)phosphoryl]oxy-2-methylbenzene
CID 6425178
1-[butyl(heptoxy)phosphoryl]oxy-2-methylbenzene
CID 6425176
1-[butyl(ethyl)phosphoryl]oxy-2-methylbenzene
CID 23081741
1-[butyl(heptoxy)phosphoryl]oxy-2-propan-2-yloxybenzene
CID 6425598
2-methylpentyl bis(2-methylphenyl) phosphate
CID 154251425
1-[bis(2-methylpropoxy)phosphoryl]hexadecane
CID 172712783
1-[butyl(2-methylpropoxy)phosphoryl]oxypentadecane
CID 91716510
1-[butyl(2-methylpropoxy)phosphoryl]oxyoctadecane
CID 91716506
1-[butyl(2-methylpropoxy)phosphoryl]oxydodecane
CID 91716241
1-[ethoxy(octadecyl)phosphoryl]oxynaphthalene
CID 174802997
bis(2-methylphenyl) nonoxy phosphate
CID 175883940
2-[butyl-(2,6-dimethoxyphenoxy)phosphoryl]oxy-1,3-dimethoxybenzene
CID 91739119

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(2-methylpropoxy)phosphoryl]oxy-2-methylbenzene?
The IUPAC name of 1-[butyl(2-methylpropoxy)phosphoryl]oxy-2-methylbenzene (CID 6425174) is 1-[butyl(2-methylpropoxy)phosphoryl]oxy-2-methylbenzene.
What is the SMILES notation for 1-[butyl(2-methylpropoxy)phosphoryl]oxy-2-methylbenzene?
The canonical SMILES for 1-[butyl(2-methylpropoxy)phosphoryl]oxy-2-methylbenzene is CCCCP(=O)(OCC(C)C)Oc1ccccc1C.
What is the InChIKey of 1-[butyl(2-methylpropoxy)phosphoryl]oxy-2-methylbenzene?
The InChIKey is YWYLMJABGNZIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O3P/c1-5-6-11-19(16,17-12-13(2)3)18-15-10-8-7-9-14(15)4/h7-10,13H,5-6,11-12H2,1-4H3.
What are the key properties of 1-[butyl(2-methylpropoxy)phosphoryl]oxy-2-methylbenzene?
1-[butyl(2-methylpropoxy)phosphoryl]oxy-2-methylbenzene has a molecular weight of 284.34 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(2-methylpropoxy)phosphoryl]oxy-2-methylbenzene is sourced from PubChem (CID 6425174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).